SCHEMBL4432093

SCHEMBL4432093

O=C1C=CC=C(C2=CN(CCN3CCC(c4ccccc4C(=O)NCCc4ccc(C(F)(F)F)cc4)CC3)C=CO2)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.37
HTR2A P28223 2/20 0.37
DRD3 P35462 2/20 0.37
CHRM4 P08173 1/20 0.35
PLAAT3 P53816 1/20 0.35
PLAAT5 Q96KN8 1/20 0.35
PLAAT2 Q9NWW9 1/20 0.35
PLAAT4 Q9UL19 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
DRD4 P21917 3/20 0.35
SLC6A5 Q9Y345 2/20 0.34
CCR3 P51677 1/20 0.34
EPHX2 P34913 2/20 0.34
NAMPT P43490 1/20 0.34
CCR2 P41597 1/20 0.33
DHODH Q02127 1/20 0.33
UTS2R Q9UKP6 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4888481 0.92 CCR3 (0.40) DRD2HTR2ADRD3CCR3
SCHEMBL4432781 0.92 NPFFR1 (0.36) DRD4CCR3UTS2R
SCHEMBL4432573 0.91 TNKS (0.38) DRD2HTR2ADRD3CHRM4CCR2
SCHEMBL4433331 0.91 TNKS (0.39) DRD3DRD4CCR3CCR2UTS2R
SCHEMBL4888759 0.91 ALDH1A1 (0.39) UTS2R
SCHEMBL4438694 0.90 ADRA1A (0.36) CHRM4CCR3CCR2UTS2R
SCHEMBL4881598 0.89 SMN1; SMN2 (0.40)
SCHEMBL4563703 0.89 BCL3 (0.36) DRD2HTR2ADRD3CCR3UTS2R
SCHEMBL4430196 0.88 DRD4 (0.36) DRD4CCR3UTS2R
SCHEMBL15808512 0.88 EPHX2 (0.37) DRD4CCR3EPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759342-B2 Benzo[1,4]oxazin-3-one, benzo[1,4]thiazin-3-one and quinolin-2-one urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US claimed
EP-2049120-A1 UROTENSIN II RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2009-04-22 EP claimed
US-20080039454-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-14 US claimed
WO-2008016534-A1 UROTENSIN II RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-07 WO claimed
US-8759342-B2 Benzo[1,4]oxazin-3-one, benzo[1,4]thiazin-3-one and quinolin-2-one urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
US-20080039454-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080039454-A1 Urotensin II receptor antagonists UTS2R, PLAUR, NTSR2 DRD2 731/4885HTR2A 262/4885DRD3 1857/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.